[4-methyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid

Systemtic Name: [4-methyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [2-(3-isopropylsulfonylpiperazin-1-yl)-4-methyl-phenyl]sulfamic acid CAS Name: [4-methyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-methyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [2-(3-isopropylsulfonylpiperazino)-4-methyl-phenyl]sulfamic acid Formula: C14H23N3O5S2 MolecularWeight: 377.47952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C14H23N3O5S2/c1-10(2)23(18,19)14-9-17(7-6-15-14)13-8-11(3)4-5-12(13)16-24(20,21)22/h4-5,8,10,14-16H,6-7,9H2,1-3H3,(H,20,21,22)